| SpectraBase Spectrum ID |
5hREQQrBEec |
| Name |
21H-Biline-8,12-dipropanoic acid, 3,17-diethyl-1,19,22,24-tetrahydro-2,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
614.310435082 u |
| Formula |
C35H42N4O6 |
| InChI |
InChI=1S/C35H42N4O6/c1-9-22-20(5)34(42)38-28(22)15-26-18(3)24(11-13-32(40)44-7)30(36-26)17-31-25(12-14-33(41)45-8)19(4)27(37-31)16-29-23(10-2)21(6)35(43)39-29/h15-17,36-37H,9-14H2,1-8H3,(H,38,42)/b27-16+,28-15-,31-17- |
| InChIKey |
XEHINQOCEHWXST-ILRJXFOTSA-N |
| Molecular Weight |
614.743 g/mol |
| SMILES |
CCC1=C(C)C(=O)N\C1=C\C1=C(C)C(CCC(=O)OC)=C(N1)\C=C\1N\C(=C\C2=NC(=O)C(C)=C2CC)C(C)=C1CCC(=O)OC |
